Mrv0541 11271415222D 36 38 0 0 0 0 999 V2000 5.6444 -9.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6432 -9.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3581 -10.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3563 -8.5872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0716 -8.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0705 -9.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7834 -10.2378 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 -8.5808 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5033 -8.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5016 -9.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2139 -10.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9284 -9.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9261 -8.9956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2132 -8.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3538 -7.7622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0670 -7.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9298 -8.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9296 -7.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9284 -10.2393 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2143 -9.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3597 -11.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6461 -11.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6478 -12.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9342 -12.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3631 -12.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2113 -7.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9248 -7.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9228 -6.5231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6363 -6.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2074 -6.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6393 -8.5809 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.3551 -8.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 -10.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6441 -11.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2132 -11.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4984 -11.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 7 10 1 0 0 0 0 17 18 1 0 0 0 0 9 8 1 0 0 0 0 2 19 1 0 0 0 0 5 4 2 0 0 0 0 19 20 1 0 0 0 0 4 1 1 0 0 0 0 3 21 1 0 0 0 0 9 10 2 0 0 0 0 21 22 1 0 0 0 0 5 6 1 0 0 0 0 22 23 1 0 0 0 0 10 11 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 11 12 2 0 0 0 0 14 26 1 0 0 0 0 2 3 1 0 0 0 0 26 27 1 0 0 0 0 12 13 1 0 0 0 0 27 28 1 0 0 0 0 3 6 2 0 0 0 0 28 29 1 0 0 0 0 13 14 2 0 0 0 0 28 30 1 0 0 0 0 14 9 1 0 0 0 0 13 31 1 0 0 0 0 1 2 2 0 0 0 0 31 32 1 0 0 0 0 4 15 1 0 0 0 0 12 33 1 0 0 0 0 5 8 1 0 0 0 0 33 34 1 0 0 0 0 15 16 1 0 0 0 0 11 35 1 0 0 0 0 6 7 1 0 0 0 0 35 36 1 0 0 0 0 M END > CHEBI:66581 > lissoclibadin 3 > A member of the class of thianthrenes that is thianthrene substituted by methoxy groups at positions 3, 4, 8 and 9, methylsulfanyl groups at positions 2 and 7 and 2-(dimethylamino)ethyl groups at positions 1 and 6. Isolated from the ascidian Lissoclinum badium, it exhibits cytotoxicity against human cancer cells. > 3 > Lissoclinotoxin E; 3,4,8,9-tetramethoxy-N1,N1,N6,N6-tetramethyl-2,7-bis(methylthio)-1,6-thianthrenediethanamine > 2,2'-[3,4,8,9-tetramethoxy-2,7-bis(methylsulfanyl)thianthrene-1,6-diyl]bis(N,N-dimethylethanamine) > C26H38N2O4S4 > 570.85100 > 570.17144 > 0 > COc1c(OC)c2Sc3c(CCN(C)C)c(SC)c(OC)c(OC)c3Sc2c(CCN(C)C)c1SC > InChI=1S/C26H38N2O4S4/c1-27(2)13-11-15-21(33-9)17(29-5)19(31-7)25-23(15)35-26-20(32-8)18(30-6)22(34-10)16(24(26)36-25)12-14-28(3)4/h11-14H2,1-10H3 > DDNBLGHDDGIIFX-UHFFFAOYSA-N > 9528972 > 17268087 $$$$